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Substance Name: Orthopropionic acid, 2,3-dibromo-, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol
RN: 97720-44-0
InChIKey: MLZCFEHMIZVROR-UHFFFAOYSA-N

Molecular Formula

  • C10-H16-Br2-O3

Molecular Weight

  • 344.041
 
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Names and Synonyms

Synonyms

  • 1-(1,2-Dibromoethyl)-4-isopropylbicycloorthocarboxylate
  • 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,2-dibromoethyl)-4-(1-methylethyl)-

Systematic Name

  • Orthopropionic acid, 2,3-dibromo-, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 97720-44-0

System Generated Number

  • 0097720440

Structure Descriptors

InChI

1S/C10H16Br2O3/c1-7(2)9-4-13-10(14-5-9,15-6-9)8(12)3-11/h7-8H,3-6H2,1-2H3

InChIKey

MLZCFEHMIZVROR-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)C(C)C)[C@@H](CBr)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 60mg/kg (60mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.